Vitas-M small molecule compound
3-[(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Catalog ID
STK430108
SMILES CC1CCc2c(C1)sc(c2C(=O)N)NC(=O)C1C2C=CC(C1C(=O)O)C2
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C19H22N2O4S MW 374.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H22N2O4S/c1-8-2-5-11-12(6-8)26-18(15(11)16(20)22)21-17(23)13-9-3-4-10(7-9)14(13)19(24)25/h3-4,8-10,13-14H,2,5-7H2,1H3,(H2,20,22)(H,21,23)(H,24,25)InChIKey
SHFFDPCSBXJBFC-UHFFFAOYSA-NSynonyms
489410-01-72((3carbamoyl6methyl4567tetrahydro1benzothiophen2yl)carbamoyl)bicyclo(221)hept5ene3carboxylicacid
3((3carbamoyl6methyl4567tetrahydro1benzothiophen2yl)carbamoyl)bicyclo(221)hept5ene2carboxylicacid
489410017
CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3C4CC(C3C(=O)O)C=C4
InChI=1SC19H22N2O4Sc18251112(68)2618(15(11)16(20)22)2117(23)1393410(79)14(13)19(24)25h348101314H257H21H3(H22022)(H2123)(H2425)
MFCD02371730
ZINC000102205310
ZINC000239203394
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